(3R)-2,2-dimethyl-3-phenylpyrrolidine

C12H17N — CID 94411574

IUPAC(3R)-2,2-dimethyl-3-phenylpyrrolidine
SMILESCC1(C)NCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-12(2)11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyMHHHPJJEUYLYOO-LLVKDONJSA-N
MW175.28 g/mol
LogP2.54
Rot. Bonds1

About (3R)-2,2-dimethyl-3-phenylpyrrolidine

(3R)-2,2-dimethyl-3-phenylpyrrolidine (PubChem CID 94411574) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-phenylpyrrolidine
PubChem CID94411574
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(3R)-2,2-dimethyl-3-phenylpyrrolidine
SMILESCC1(C)NCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H17N/c1-12(2)11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m1/s1
InChIKeyMHHHPJJEUYLYOO-LLVKDONJSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
CID 79979954
3-(3,5-dimethylphenyl)-2,2-dimethylpyrrolidine
CID 62354775
3-(3-ethoxyphenyl)-2,2-dimethylpyrrolidine
CID 62354565
3-(2-ethylphenyl)-2,2-dimethylpyrrolidine
CID 62416860
2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55062903
3-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidine
CID 81165667
(3R,4R)-2,2-dimethyl-3,4-diphenylpyrrolidine
CID 131847538
(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
CID 11398376
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
3-(3-chloro-2-methylphenyl)-2,2-dimethylpyrrolidine
CID 83823137
(3aR,6aR)-6-phenyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-6a-ol
CID 142546410
(3R,5R)-2,2,5-trimethyl-3-phenylpyrrolidine
CID 11137917

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-phenylpyrrolidine?
The IUPAC name of (3R)-2,2-dimethyl-3-phenylpyrrolidine (CID 94411574) is (3R)-2,2-dimethyl-3-phenylpyrrolidine.
What is the SMILES notation for (3R)-2,2-dimethyl-3-phenylpyrrolidine?
The canonical SMILES for (3R)-2,2-dimethyl-3-phenylpyrrolidine is CC1(C)NCC[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-2,2-dimethyl-3-phenylpyrrolidine?
The InChIKey is MHHHPJJEUYLYOO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N/c1-12(2)11(8-9-13-12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-phenylpyrrolidine?
(3R)-2,2-dimethyl-3-phenylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-phenylpyrrolidine is sourced from PubChem (CID 94411574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).